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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-42748
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'Se']
  • Chemical System: Ba-Sb-Se
  • Density: 5.438455177795446
  • Atomic Density: 0.03290688620035564
  • Unit Cell Volume: 1701.7714668911694
  • Molar Volume: 18.300548776732683
  • Full Formula: Ba8 Sb16 Se32
  • Reduced Formula: Ba(SbSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m